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Chemical ID: 5136163
Chemical ID:
5136163
Name [?]:
2-(4-hydroxy-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2c(cc(cc2Cl)Cl)Cl)O
InChi [?]:
InChI=1/C13H10Cl3N3O2S/c1-6-2-10(20)19-13(17-6)22-5-11(21)18-12-8(15)3-7(14)4-9(12)16/h2-4H,5H2,1H3,(H,18,21)(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,15,17,9,2,16,14,18,4,10,13,6,20,21,19,7,12,5,22,11,8/E:(3,4)(8,9)(15,16)/rA:22nCCCCNCNSCCONCCCCCCClClClO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Cl3N3O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4462 |
Area: | 563.944 |
Solvation: | -3.65236 |
Coulombic: | -47.9475 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 378.662 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.54 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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